HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-Dodecanthiol
TDM · Dodecanethiol · TERT-DODECANETHIOL · TERT-DODECYL MERCAPTAN · T-DODECANETHIOL · 2,3,3,4,4,5-Hexamethyl-2-hexanethiol · tert-Dodecanet · T-DODECYLMERCAPTAN
Identifikatoren & physikalische Daten
| CAS No. | 25103-58-6 |
|---|---|
| Summenformel | C12H26S |
| Durchschnittliche Molmasse | 202,4 g/mol |
| Monoisotopische Masse | 202,17552183 g/mol |
| SMILES | CC(C)C(C)(C)C(C)(C)C(C)(C)S |
| InChIKey | YAJYJWXEWKRTPO-UHFFFAOYSA-N |
| PubChem CID | 32793 |
| ChEMBL | CHEMBL1325985 |
| EC No. | 246-619-1 |
| DTXSID | DTXSID1025221 |
| Lokaler Name | tert-Dodecanthiol |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 176 |
| Physical Description | Large CrystalsLiquid |
| Schmelzpunkt | -7.5°C |
| Siedepunkt | 227-248 °C (lit.) |
| Dichte | 0.86 g/mL at 20 °C (lit.) |
| Dampfdruck | 1.33 hPa (25.5 °C) |
| Brechungsindex | 1.4486 (estimate) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | <0.1g/l<0.1 g/100 mL at 23 ºC |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1738382 |
| InChI | 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3 |
| InChIKey | CXUHLUIXDGOURI-UHFFFAOYSA-N |
| SMILES | SC(C(C(C(C)C)(C)C)(C)C)(C)C |
| LogP (Verteilungskoeffizient) | 7.43 at 20℃ |
| CAS Datenbank | 25103-58-6(CAS DataBase Reference) |
| EPA chemische Informationen | tert-Dodecanethiol (25103-58-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.3% (25 of 1065) of reports.WarningH315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1065 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: tert-Dodecanethioltert-Dodecanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of tert-Dodecanethiol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13431t-Dodecanethiol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - tert-Dodecanethiol: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (95.6%)Flammable liquids - Category 4 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29309070 |
| RTECS-Nr. | JR3150000 |
| R-Sätze (R) | 36/38-50/53 |
| Toxizität | LD50 orally in Rabbit: 6800 mg/kg LD50 dermal Rabbit 12600 mg/kg |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-36-60 |
Anwendungen & Verwendung
Verwenden
Tert-dodecylthiol is used in the polymer industry and as a processing regulator, processing aid (i.e. pH value regulator, flocculant and precipitant), lubricant, for the manufacture of plastic materials, resins, paints, coatings, rubber products, and mining, among other things.